SCHEMBL1773449

SCHEMBL1773449

Cc1c(N)nc(N)nc1N1CC2CCCNC2C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.55
HTR3A P46098 1/20 0.38
ROCK1 Q13464 1/20 0.34
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18601617 1.00 HRH4 (0.55) HRH4HTR3AROCK1CHRM3PDE4A
SCHEMBL603817 0.90 HRH4 (0.55) HRH4HTR3AROCK1
SCHEMBL603816 0.90 HRH4 (0.55) HRH4HTR3AROCK1
SCHEMBL603815 0.90 HRH4 (0.55) HRH4HTR3AROCK1
SCHEMBL18601593 0.84 HRH4 (0.52) HRH4HTR3AROCK1
SCHEMBL606483 0.84 HRH4 (0.52) HRH4HTR3AROCK1
SCHEMBL607335 0.84 HRH4 (0.52) HRH4HTR3AROCK1
SCHEMBL18601596 0.84 HRH4 (0.52) HRH4HTR3AROCK1
SCHEMBL1774130 0.84 HRH4 (0.52) HRH4HTR3AROCK1
SCHEMBL1780152 0.84 HRH4 (0.52) HRH4HTR3AROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
EP-1966162-A2 PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2008-09-10 EP disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
WO-2007072163-A2 PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP HRH4 184/4885HTR3A 1577/4885ROCK1 3749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.